8-fluoro-N-(4-methyl-1,3-thiazol-2-yl)-4-oxo-1H-quinoline-3-carboxamide

C14H10FN3O2S — CID 51052517

IUPAC8-fluoro-N-(4-methyl-1,3-thiazol-2-yl)-4-oxo-1H-quinoline-3-carboxamide
SMILESCc1csc(NC(=O)c2c[nH]c3c(F)cccc3c2=O)n1
InChIInChI=1S/C14H10FN3O2S/c1-7-6-21-14(17-7)18-13(20)9-5-16-11-8(12(9)19)3-2-4-10(11)15/h2-6H,1H3,(H,16,19)(H,17,18,20)
InChIKeyZAEMUOXHWALUTI-UHFFFAOYSA-N
MW303.32 g/mol
LogP2.68
Rot. Bonds2

About 8-fluoro-N-(4-methyl-1,3-thiazol-2-yl)-4-oxo-1H-quinoline-3-carboxamide

8-fluoro-N-(4-methyl-1,3-thiazol-2-yl)-4-oxo-1H-quinoline-3-carboxamide (PubChem CID 51052517) has the molecular formula C14H10FN3O2S and a molecular weight of 303.32 g/mol. Its IUPAC name is 8-fluoro-N-(4-methyl-1,3-thiazol-2-yl)-4-oxo-1H-quinoline-3-carboxamide.

Molecular Properties

Compound Name8-fluoro-N-(4-methyl-1,3-thiazol-2-yl)-4-oxo-1H-quinoline-3-carboxamide
PubChem CID51052517
Molecular FormulaC14H10FN3O2S
Molecular Weight303.32 g/mol
Exact Mass303.05
IUPAC Name8-fluoro-N-(4-methyl-1,3-thiazol-2-yl)-4-oxo-1H-quinoline-3-carboxamide
SMILESCc1csc(NC(=O)c2c[nH]c3c(F)cccc3c2=O)n1
InChIInChI=1S/C14H10FN3O2S/c1-7-6-21-14(17-7)18-13(20)9-5-16-11-8(12(9)19)3-2-4-10(11)15/h2-6H,1H3,(H,16,19)(H,17,18,20)
InChIKeyZAEMUOXHWALUTI-UHFFFAOYSA-N
XLogP2.68
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-fluoro-N-(4-methyl-1,3-thiazol-2-yl)-4-oxo-1H-quinoline-3-carboxamide
CID 17028163
2-N,6-N-bis(4-methyl-1,3-thiazol-2-yl)pyridine-2,6-dicarboxamide
CID 19684989
2-iodo-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 884818
2-fluoro-N-(4-methyl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 107358521
5-amino-2,4-difluoro-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 61090250
2-methyl-N-(4-methyl-1,3-thiazol-2-yl)quinoline-4-carboxamide
CID 2085562
5-bromo-2-fluoro-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 24696228
8-methoxy-N-(6-methyl-2-pyridinyl)-4-oxo-1H-quinoline-3-carboxamide
CID 43831811
N-(5-acetamido-2-methoxyphenyl)-8-fluoro-4-oxo-1H-quinoline-3-carboxamide
CID 51053181
8-fluoro-4-oxo-N-[(E)-thiophen-2-ylmethylideneamino]-1H-quinoline-3-carboxamide
CID 127048344
2,3-dimethoxy-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 2970631
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-8-methoxy-4-oxo-1H-quinoline-3-carboxamide
CID 43831878

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-N-(4-methyl-1,3-thiazol-2-yl)-4-oxo-1H-quinoline-3-carboxamide?
The IUPAC name of 8-fluoro-N-(4-methyl-1,3-thiazol-2-yl)-4-oxo-1H-quinoline-3-carboxamide (CID 51052517) is 8-fluoro-N-(4-methyl-1,3-thiazol-2-yl)-4-oxo-1H-quinoline-3-carboxamide.
What is the SMILES notation for 8-fluoro-N-(4-methyl-1,3-thiazol-2-yl)-4-oxo-1H-quinoline-3-carboxamide?
The canonical SMILES for 8-fluoro-N-(4-methyl-1,3-thiazol-2-yl)-4-oxo-1H-quinoline-3-carboxamide is Cc1csc(NC(=O)c2c[nH]c3c(F)cccc3c2=O)n1.
What is the InChIKey of 8-fluoro-N-(4-methyl-1,3-thiazol-2-yl)-4-oxo-1H-quinoline-3-carboxamide?
The InChIKey is ZAEMUOXHWALUTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FN3O2S/c1-7-6-21-14(17-7)18-13(20)9-5-16-11-8(12(9)19)3-2-4-10(11)15/h2-6H,1H3,(H,16,19)(H,17,18,20).
What are the key properties of 8-fluoro-N-(4-methyl-1,3-thiazol-2-yl)-4-oxo-1H-quinoline-3-carboxamide?
8-fluoro-N-(4-methyl-1,3-thiazol-2-yl)-4-oxo-1H-quinoline-3-carboxamide has a molecular weight of 303.32 g/mol, XLogP of 2.68, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-N-(4-methyl-1,3-thiazol-2-yl)-4-oxo-1H-quinoline-3-carboxamide is sourced from PubChem (CID 51052517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).